(4-phenethylpiperazin-4-ium-1-yl)-[(4R)-2-pyridin-1-ium-3-yl-1,3-thiazolidin-3-ium-4-yl]methanone trichloride

Systemtic Name: (4-phenethylpiperazin-4-ium-1-yl)-[(4R)-2-pyridin-1-ium-3-yl-1,3-thiazolidin-3-ium-4-yl]methanone trichloride Openeye Name: (4-phenethylpiperazin-4-ium-1-yl)-[(4R)-2-pyridin-1-ium-3-ylthiazolidin-3-ium-4-yl]methanone trichloride CAS Name: (4-phenethyl-1-piperazin-4-iumyl)-[(4R)-2-(3-pyridin-1-iumyl)-4-thiazolidin-3-iumyl]methanone trichloride IUPAC Name: (4-phenethylpiperazin-4-ium-1-yl)-[(4R)-2-pyridin-1-ium-3-yl-1,3-thiazolidin-3-ium-4-yl]methanone trichloride Traditional Name: (4-phenethylpiperazin-4-ium-1-yl)-[(4R)-2-pyridin-1-ium-3-ylthiazolidin-3-ium-4-yl]methanone trichloride Formula: C21H29Cl3N4OS MolecularWeight: 491.90516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3CSC([NH2+]3)C4=C[NH+]=CC=C4.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)[C@@H]3CSC([NH2+]3)C4=C[NH+]=CC=C4.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C21H26N4OS.3ClH/c26-21(19-16-27-20(23-19)18-7-4-9-22-15-18)25-13-11-24(12-14-25)10-8-17-5-2-1-3-6-17;;;/h1-7,9,15,19-20,23H,8,10-14,16H2;3*1H/t19-,20?;;;/m0.../s1